N-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8018-0580 |
| Compound Name: | N-(4-methylphenyl)-1,4-diphenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 461.63 |
| Molecular Formula: | C30 H27 N3 S |
| Smiles: | Cc1ccc(cc1)NC(c1c(c2ccccc2)c2CCCCN3C(=Cn1c23)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.5813 |
| logD: | 7.5813 |
| logSw: | -5.9555 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 12.1296 |
| InChI Key: | DDJPEJFYCCIEJB-UHFFFAOYSA-N |